3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one

C11H13NO — CID 71438485

IUPAC3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one
SMILESCC1(C)C2Cc3ccc(=O)[nH]c3C21
InChIInChI=1S/C11H13NO/c1-11(2)7-5-6-3-4-8(13)12-10(6)9(7)11/h3-4,7,9H,5H2,1-2H3,(H,12,13)
InChIKeyOYCQLKLUCCSDNP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.67
Rot. Bonds

About 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one

3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one (PubChem CID 71438485) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one.

Molecular Properties

Compound Name3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one
PubChem CID71438485
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one
SMILESCC1(C)C2Cc3ccc(=O)[nH]c3C21
InChIInChI=1S/C11H13NO/c1-11(2)7-5-6-3-4-8(13)12-10(6)9(7)11/h3-4,7,9H,5H2,1-2H3,(H,12,13)
InChIKeyOYCQLKLUCCSDNP-UHFFFAOYSA-N
XLogP1.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-6-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 144601804
8-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962995
8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962994
8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 59538715
8-chloro-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 23338159
7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one
CID 165117481
(6S)-6-ethyl-2-oxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-c]azepine-8-carboxylic acid
CID 170312443
4,7,7-trimethylbicyclo[4.1.0]heptan-2-one
CID 85303553
6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 131663583
3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene
CID 67416153
9-ethyl-1,5,6,7,8,9-hexahydropyrido[2,3-d]azepin-2-one;dihydrobromide
CID 68876103
5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one
CID 118143620

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one?
The IUPAC name of 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one (CID 71438485) is 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one.
What is the SMILES notation for 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one?
The canonical SMILES for 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one is CC1(C)C2Cc3ccc(=O)[nH]c3C21.
What is the InChIKey of 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one?
The InChIKey is OYCQLKLUCCSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)7-5-6-3-4-8(13)12-10(6)9(7)11/h3-4,7,9H,5H2,1-2H3,(H,12,13).
What are the key properties of 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one?
3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one has a molecular weight of 175.23 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one is sourced from PubChem (CID 71438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).